The role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin
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Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds2D IR spectra of cyanide in water investigated by molecular dynamics simulations.Quantifying the importance of protein conformation on ligand migration in myoglobinStructural assignment of spectra by characterization of conformational substates in bound MbCO.Nitric oxide dynamics in truncated hemoglobin: docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations.Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein.Quantum mechanical calculation of electric fields and vibrational Stark shifts at active site of human aldose reductase.A generalized reactive force field for nonlinear hydrogen bonds: hydrogen dynamics and transfer in malonaldehyde.Dynamics and vibrational spectroscopy of water at hydroxylated silica surfaces.Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields.Multipolar electrostatics.Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics.Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates.A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.An Ab Initio QM/MM Study of the Electrostatic Contribution to Catalysis in the Active Site of Ketosteroid Isomerase
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P2860
The role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin
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2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年學術文章
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2008年學術文章
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name
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@ast
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@en
type
label
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@ast
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@en
prefLabel
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@ast
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@en
P2860
P1433
P1476
The role of higher CO-multipol ...... ed carbonmonoxide in myoglobin
@en
P2093
Markus Meuwly
Nuria Plattner
P2860
P304
P356
10.1529/BIOPHYSJ.107.120519
P407
P577
2008-01-04T00:00:00Z